N-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide

C16H15FN2O — CID 932029

IUPACN-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O/c1-12(20)19(2)16-9-7-15(8-10-16)18-11-13-3-5-14(17)6-4-13/h3-11H,1-2H3/b18-11+
InChIKeyPCZSFAJWLNYJHI-WOJGMQOQSA-N
MW270.31 g/mol
LogP3.56
Rot. Bonds3

About N-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide

N-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide (PubChem CID 932029) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide
PubChem CID932029
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC NameN-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O/c1-12(20)19(2)16-9-7-15(8-10-16)18-11-13-3-5-14(17)6-4-13/h3-11H,1-2H3/b18-11+
InChIKeyPCZSFAJWLNYJHI-WOJGMQOQSA-N
XLogP3.56
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide
CID 708152
[[4-[(4-fluorophenyl)iminomethyl]phenyl]-methylboranyl] acetate
CID 91438669
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide
CID 913370
1-(4-fluorophenyl)-N-(4-iodophenyl)methanimine
CID 554998
4-[(4-fluorophenyl)methylideneamino]benzenethiol
CID 15543881
1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine
CID 4028302
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde
CID 145351672
3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one
CID 171147963
N-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide
CID 135522902
N-but-3-enyl-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 176910870

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide (CID 932029) is N-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(/N=C/c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide?
The InChIKey is PCZSFAJWLNYJHI-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-12(20)19(2)16-9-7-15(8-10-16)18-11-13-3-5-14(17)6-4-13/h3-11H,1-2H3/b18-11+.
What are the key properties of N-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide?
N-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide has a molecular weight of 270.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 932029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).